(4-cyanocyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-cyanocyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-cyanocyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-cyanocyclohexyl) ester Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

InChI

InChI=1S/C25H31N3O2/c1-2-3-4-5-6-7-20-17-27-24(28-18-20)21-10-12-22(13-11-21)25(29)30-23-14-8-19(16-26)9-15-23/h10-13,17-19,23H,2-9,14-15H2,1H3